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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea
organooxygen compound > carboxamide > lactam > 1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > 1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > 1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea

Preferred term

1-[[(3s,9r,10s)-16-[[anilino(oxo)methyl]amino]-12-[(2s)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H53N5O6

inchi

  • InChI=1S/C36H53N5O6/c1-25-22-41(26(2)24-42)34(43)31-21-30(38-35(44)37-28-14-7-5-8-15-28)18-19-32(31)47-27(3)13-11-12-20-46-33(25)23-40(4)36(45)39-29-16-9-6-10-17-29/h5,7-8,14-15,18-19,21,25-27,29,33,42H,6,9-13,16-17,20,22-24H2,1-4H3,(H,39,45)(H2,37,38,44)/t25-,26-,27-,33-/m0/s1

inchikey

  • DPEMORWFTDHHQZ-KIAQLKRMSA-N

mass

  • 651.837

monoisotopicmass

  • 651.39958

smiles

  • C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4CCCCC4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127644

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